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6'-oxoparomamine

PropertiesImage
MNX_IDMNXM10352 Image of MNXM10352
referencechebi:65016
formulaC12H26N3O7
global charge3
mol weight324.354
InChIKeyGLTSSBZZNLCFQJ-HKEUSBCWSA-Q
InChIInChI=1S/C12H23N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h2-12,17-20H,1,13-15H2/p+3/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
SMILES[NH3+][C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])O[C@H](C=O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C12H23N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h2-12,17-20H,1,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1 Image of MNXM10352
SMILES (mnx)[CH2:1]1[C@@H:3]([NH2:13])[C@H:7]([OH:17])[C@@H:10]([OH:20])[C@H:11]([O:22][C@@H:12]2[C@H:6]([NH2:15])[C@@H:9]([OH:19])[C@H:8]([OH:18])[C@@H:5]([CH:2]=[O:16])[O:21]2)[C@H:4]1[NH2:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65016
chebi:65016
GLTSSBZZNLCFQJ-HKEUSBCWSA-Q 		6'-oxoparomamine
(1R,2R,3S,4R,6S)-4,6-diammonio-2,3-dihydroxycyclohexyl 2-ammonio-2-deoxy-alpha-D-gluco-hexodialdo-1,5-pyranoside
6'-dehydro-6'-oxoparomamine(3+)
6'-oxoparomamine(3+)

kegg.compound:C17583
keggC:C17583
GLTSSBZZNLCFQJ-HKEUSBCWSA-N 		6'-Dehydro-6'-oxoparomamine
6'-Dehydroparomamine
6'-Oxoparomamine

seed.compound:cpd17704
seedM:cpd17704
GLTSSBZZNLCFQJ-HKEUSBCWSA-Q 		6'-Dehydro-6'-oxoparomamine
6'-Dehydroparomamine
6'-Oxoparomamine
6'-dehydroparomamine
6'-oxoparomamine

metacyc.compound:CPD-14155
metacycM:CPD-14155
GLTSSBZZNLCFQJ-HKEUSBCWSA-Q 		6'-dehydroparomamine

CHEBI:65008
chebi:65008
GLTSSBZZNLCFQJ-HKEUSBCWSA-N 		6'-oxoparomamine
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2-deoxy-alpha-D-gluco-hexodialdo-1,5-pyranoside
(2S,3S,4R,5R,6S)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxane-2-carbaldehyde
6'-dehydro-6'-oxoparomamine

keggC:M_C17583
seedM:M_cpd17704 		secondary/obsolete/fantasy identifier